SCHEMBL9059278

SCHEMBL9059278

Nc1nc2c(ncn2[C@@H]2O[C@H](COOO)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.70
NT5E P21589 1/20 0.70
GSK3A P49840 2/20 0.66
RPS6KA3 P51812 2/20 0.66
MAPK14 Q16539 2/20 0.66
TGM2 P21980 1/20 0.65
PNP P00491 1/20 0.63
KRAS P01116 5/20 0.59
FUT5 Q11128 1/20 0.58
HPGD P15428 1/20 0.58
IMPDH2 P12268 2/20 0.57
IMPDH1 P20839 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17355882 0.92 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3970953 0.92 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL16295117 0.91 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL14782966 0.91 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3514472 0.90 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL30567341 0.89 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.89 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2014087 0.89 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL7111080 0.89 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL116165 0.89 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3936139-B1 TETRASELMIS CHUII (T. CHUII) FOR THE TREATMENT OF MALE INFERTILITY FITOPLANCTON MARINO S L (ES) 2023-09-20 EP disclosed
US-20230263847-A1 TETRASELMIS CHUII (T. CHUII) FOR THE TREATMENT OF MALE INFERTILITY FITOPLANCTON MARINO, S.L (ES) 2023-08-24 US disclosed
US-20230028836-A1 IONIC-GROUP-CONTAINING MICROBALLOON AND PRODUCTION METHOD THEREFOR TOKUYAMA CORPORATION (JP) 2023-01-26 US disclosed
WO-2022008707-A1 TETRASELMIS CHUII (T. CHUII) FOR THE TREATMENT OF MALE INFERTILITY FITOPLANCTON MARINO, S.L (ES) 2022-01-13 WO disclosed
EP-3936139-A1 TETRASELMIS CHUII (T. CHUII) FOR THE TREATMENT OF MALE INFERTILITY Fitoplancton Marino S.L. (ES) 2022-01-12 EP disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed
WO-1996016977-A1 NOVEL ANTI-HIV AGENT AKIRA KAJI (JP) 1996-06-06 WO disclosed